Benzeneacetic acid,3-methoxy-, ethyl ester supplier

Name
ETHYL 3-METHOXYPHENYLACETATE
EINECS 252-614-5
CAS No. 35553-92-5
Article Data30
CAS DataBase
Density 1.062 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 271.6 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 108.5 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (m-methoxyphenyl)-, ethyl ester (7CI);(3-Methoxyphenyl)acetic acid ethylester;Ethyl 3-methoxyphenylacetate;Ethyl m-methoxyphenylacetate;m-Methoxyphenylacetic acid ethyl ester;
PSA 35.53000
LogP 1.80080

Benzeneacetic acid,3-methoxy-, ethyl ester Specification

The Benzeneacetic acid,3-methoxy-, ethyl ester, with the CAS registry number 35553-92-5 and EINECS registry number 252-614-5, has the systematic name of ethyl (3-methoxyphenyl)acetate. And the molecular formula of the chemical is C₁₁H₁₄O₃. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Benzeneacetic acid,3-methoxy-, ethyl ester are as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.15; (6)ACD/BCF (pH 7.4): 40.15; (7)ACD/KOC (pH 5.5): 489.21; (8)ACD/KOC (pH 7.4): 489.21; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 53.52 cm³; (15)Molar Volume: 182.7 cm³; (16)Polarizability: 21.21×10^-24cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.062 g/cm³; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 50.99 kJ/mol; (21)Boiling Point: 271.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00637 mmHg at 25°C.

Uses of Benzeneacetic acid,3-methoxy-, ethyl ester: It can react with carbonic acid diethyl ester to produce (3-methoxy-phenyl)-malonic acid diethyl ester. This reaction will need reagent NaH, and the yield is about 80%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)Cc1cc(OC)ccc1
(2)InChI: InChI=1/C11H14O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h4-7H,3,8H2,1-2H3
(3)InChIKey: XXVVNHCWPHMLEZ-UHFFFAOYAR

Product Name

ETHYL 3-METHOXYPHENYLACETATE

Benzeneacetic acid,3-methoxy-, ethyl ester Specification

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